2-azanyl-N-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: 2-azanyl-N-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 2-amino-3-benzylsulfanyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide CAS Name: 2-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: 2-amino-3-benzylsulfanyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide Traditional Name: 2-amino-3-(benzylthio)-N-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C(CSCC3=CC=CC=C3)N

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C(CSCC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4O2S/c1-14-11-19(26)24-25-20(14)16-7-9-17(10-8-16)23-21(27)18(22)13-28-12-15-5-3-2-4-6-15/h2-10,14,18H,11-13,22H2,1H3,(H,23,27)(H,24,26)